UCSF

ZINC34991975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

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) 4.40 7.11 -42.71 2 3 1 29 423.213 8
Hi High (pH 8-9.5) 4.40 5.53 -2.45 1 3 0 24 422.205 8
Mid Mid (pH 6-8) 4.40 9.16 -117.15 3 3 2 30 424.221 8
Mid Mid (pH 6-8) 4.40 7.76 -32.09 2 3 1 26 423.213 8

Activity (Go SEA)

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