UCSF

ZINC44886496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -1.35 -1.87 -43.94 3 10 -1 148 292.279 5
Lo Low (pH 4.5-6) -1.35 -1.62 -18.71 4 10 0 149 293.287 5

Activity (Go SEA)

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