UCSF

ZINC35021488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.57 3.75 -9.54 0 3 0 30 241.237 3
Lo Low (pH 4.5-6) 1.57 5.95 -35.15 1 3 1 31 242.245 3

Activity (Go SEA)

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