UCSF

ZINC19453873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 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) 3.08 11.45 -52.26 2 6 1 64 420.581 7
Mid Mid (pH 6-8) 3.08 11.92 -80.83 3 6 2 65 421.589 7

Activity (Go SEA)

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