UCSF

ZINC34891394

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 3.38 3.61 -48.84 2 10 -1 137 452.472 7
Lo Low (pH 4.5-6) 3.38 3.85 -20.38 3 10 0 135 453.48 7

Activity (Go SEA)

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