UCSF

ZINC34676303

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 0.68 7.68 -25.42 0 9 0 82 456.522 5
Mid Mid (pH 6-8) 0.68 10.01 -61.18 1 9 1 83 457.53 5

Activity (Go SEA)

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