UCSF

ZINC05444938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 6 -17.42 3 7 0 103 359.389 4
Ref Reference (pH 7) 3.54 6.13 -12.08 3 7 0 103 359.389 4
Hi High (pH 8-9.5) 4.00 4.04 -57.67 2 7 -1 106 358.381 4
Hi High (pH 8-9.5) 4.00 4.36 -43.65 2 7 -1 106 358.381 4
Hi High (pH 8-9.5) 4.00 4.31 -50.88 2 7 -1 106 358.381 4
Hi High (pH 8-9.5) 4.00 4.11 -54.49 2 7 -1 106 358.381 4
Mid Mid (pH 6-8) 3.37 6.11 -35.41 4 7 1 101 360.397 5
Mid Mid (pH 6-8) 3.54 6.05 -14.2 3 7 0 103 359.389 4
Mid Mid (pH 6-8) 3.54 5.93 -17.58 3 7 0 103 359.389 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )