UCSF

ZINC34992115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 5.71 11.25 -32.41 2 1 1 17 306.832 5
Mid Mid (pH 6-8) 5.71 10.12 -3.05 1 1 0 12 305.824 5

Activity (Go SEA)

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