UCSF

ZINC34681917

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 3.74 11.59 -38.77 2 5 1 50 389.47 5
Lo Low (pH 4.5-6) 3.74 11.9 -98.82 3 5 2 51 390.478 5

Activity (Go SEA)

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