UCSF

ZINC05161044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 10 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) 1.65 5.21 -5.25 0 1 0 13 133.194 0
Lo Low (pH 4.5-6) 1.65 5.44 -24.84 1 1 1 14 134.202 0

Activity (Go SEA)

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