UCSF

ZINC61721471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 0.63 5.85 -70.39 2 5 0 74 242.319 6
Lo Low (pH 4.5-6) 0.63 3.85 -43.31 3 5 1 71 243.327 6

Activity (Go SEA)

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