UCSF

ZINC33723231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 No

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) 2.96 8.69 -76.95 2 7 0 94 438.524 10
Lo Low (pH 4.5-6) 2.96 7.39 -57.41 3 7 1 92 439.532 10

Activity (Go SEA)

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