UCSF

ZINC34616505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 3.31 7.2 -14.94 1 4 0 54 260.3 1
Lo Low (pH 4.5-6) 3.31 7.63 -43.81 2 4 1 56 261.308 1

Activity (Go SEA)

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