UCSF

ZINC44610617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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 0.45 -64.06 3 9 1 105 263.285 3
Mid Mid (pH 6-8) -1.65 -0.84 -17.15 2 9 0 100 262.277 3
Lo Low (pH 4.5-6) -1.65 0.92 -121.19 4 9 2 106 264.293 3

Activity (Go SEA)

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