UCSF

ZINC01156127

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 26 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) 5.93 12.63 -10.66 0 3 0 27 362.86 5
Lo Low (pH 4.5-6) 5.93 13.35 -29.21 1 3 1 28 363.868 5

Activity (Go SEA)

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