UCSF

ZINC34560520

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 5.99 15.56 -9.4 0 3 0 21 343.474 5
Mid Mid (pH 6-8) 5.99 15.35 -20.96 1 3 1 22 344.482 5

Activity (Go SEA)

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