UCSF

ZINC53135495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.20 7.52 -45.36 2 3 1 39 336.253 6
Lo Low (pH 4.5-6) 3.20 7.98 -95.81 3 3 2 40 337.261 6

Activity (Go SEA)

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