UCSF

ZINC22935893

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 4.20 8.4 -39.05 2 3 1 29 421.197 7
Mid Mid (pH 6-8) 4.20 10.22 -118.03 3 3 2 30 422.205 7
Mid Mid (pH 6-8) 4.20 8.82 -31.96 2 3 1 26 421.197 7

Activity (Go SEA)

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