UCSF

ZINC42407737

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 3.31 7.71 -108.28 3 2 2 21 226.408 4
Hi High (pH 8-9.5) 3.31 7.24 -34.29 2 2 1 20 225.4 4
Mid Mid (pH 6-8) 3.31 6.44 -31.53 2 2 1 16 225.4 4

Activity (Go SEA)

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