UCSF

ZINC21639681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 4.30 11.51 -7.85 1 4 0 41 348.425 4
Mid Mid (pH 6-8) 4.30 13.79 -47.1 2 4 1 42 349.433 4

Activity (Go SEA)

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