UCSF

ZINC21040702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 19 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) 3.18 5.48 -46.45 4 3 1 57 304.241 5
Mid Mid (pH 6-8) 3.18 5.18 -8.29 3 3 0 55 303.233 5

Activity (Go SEA)

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