UCSF

ZINC62980186

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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) 1.45 5.66 -80.05 3 3 2 24 241.423 5
Hi High (pH 8-9.5) 1.45 3.55 -34.89 2 3 1 23 240.415 5
Lo Low (pH 4.5-6) 1.45 7.68 -186.54 4 3 3 25 242.431 5

Activity (Go SEA)

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