UCSF

ZINC33236860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2009 23 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) 1.85 7.06 -9.79 0 4 0 36 309.413 3
Mid Mid (pH 6-8) 1.85 7.79 -37.21 1 4 1 38 310.421 3
Lo Low (pH 4.5-6) 1.85 9.28 -42.23 1 4 1 38 310.421 3

Activity (Go SEA)

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