UCSF

ZINC42591866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.94 9.64 -7.75 2 3 0 44 251.761 3
Mid Mid (pH 6-8) 3.94 10.11 -26.86 3 3 1 45 252.769 3

Activity (Go SEA)

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