UCSF

ZINC40457451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 0.29 4.59 -9.99 0 5 0 59 242.282 3
Lo Low (pH 4.5-6) 0.29 5.06 -39.38 1 5 1 60 243.29 3

Activity (Go SEA)

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