UCSF

ZINC59540114

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 14 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) 0.38 -2.85 -6.95 5 4 0 79 196.25 4
Lo Low (pH 4.5-6) 0.38 -2.24 -36.88 6 4 1 83 197.258 4
Lo Low (pH 4.5-6) 0.38 -3 -43.68 6 4 1 80 197.258 4

Activity (Go SEA)

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