UCSF

ZINC35021463

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) 1.59 3.86 -10.83 0 3 0 30 241.237 3
Lo Low (pH 4.5-6) 1.59 6.06 -47.7 1 3 1 31 242.245 3

Activity (Go SEA)

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