UCSF

ZINC70514835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.32 3.05 -80.53 4 5 2 60 292.464 14
Hi High (pH 8-9.5) 1.32 -0.34 -5.63 2 5 0 54 290.448 14
Mid Mid (pH 6-8) 1.32 0.84 -34.29 3 5 1 59 291.456 14

Activity (Go SEA)

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