UCSF

ZINC34617205

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 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) 3.87 9.82 -48.2 1 9 -1 117 453.482 8
Lo Low (pH 4.5-6) 3.87 9.93 -16.08 2 9 0 119 454.49 8

Activity (Go SEA)

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