UCSF

ZINC21629203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.88 7.41 -57.45 2 6 1 71 422.958 5
Mid Mid (pH 6-8) 3.88 8.31 -15.19 1 6 0 70 421.95 5

Activity (Go SEA)

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