UCSF

ZINC44804533

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 14 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) -0.13 1.07 -48.47 3 4 1 57 201.29 2

Activity (Go SEA)

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