UCSF

ZINC12538295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 No

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) 2.26 8.07 -60.07 1 6 -1 94 292.274 3
Lo Low (pH 4.5-6) 2.26 7.45 -78.89 2 6 0 96 293.282 3

Activity (Go SEA)

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