UCSF

ZINC42446396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.47 3.56 -27.32 3 3 1 34 240.415 3
Hi High (pH 8-9.5) 1.47 3.83 -35.17 3 3 1 34 240.415 3
Mid Mid (pH 6-8) 1.47 5.96 -94.07 4 3 2 35 241.423 3
Mid Mid (pH 6-8) 1.47 4.03 -120.32 4 3 2 35 241.423 3
Lo Low (pH 4.5-6) 1.47 6.43 -215.29 5 3 3 37 242.431 3

Activity (Go SEA)

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