UCSF

ZINC36876612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.58 6.87 -35.85 3 3 1 45 242.346 2
Hi High (pH 8-9.5) 2.58 5.5 -6.98 2 3 0 41 241.338 2
Hi High (pH 8-9.5) 2.58 6.07 -25.8 3 3 1 42 242.346 2
Mid Mid (pH 6-8) 2.58 7.31 -104.89 4 3 2 47 243.354 2

Activity (Go SEA)

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