UCSF

ZINC20925239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 4.29 9.37 -50.21 2 3 1 35 300.422 9
Mid Mid (pH 6-8) 4.29 7.96 -5.66 1 3 0 30 299.414 9

Activity (Go SEA)

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