UCSF

ZINC36876941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.45 7.32 -48.88 4 3 1 56 258.389 4
Hi High (pH 8-9.5) 1.45 6.76 -25.6 4 3 1 56 258.389 4
Hi High (pH 8-9.5) 1.45 6.28 -7.19 3 3 0 55 257.381 4
Mid Mid (pH 6-8) 1.45 7.19 -111.2 5 3 2 58 259.397 4

Activity (Go SEA)

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