UCSF

ZINC27181656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 18 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) 0.83 2.55 -9.12 6 6 0 113 245.286 3
Mid Mid (pH 6-8) 0.83 3.04 -34.46 7 6 1 114 246.294 3

Activity (Go SEA)

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