UCSF

ZINC36190770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.22 3.88 -45.79 2 5 1 53 223.3 2
Mid Mid (pH 6-8) -0.22 1.51 -10.79 1 5 0 52 222.292 2

Activity (Go SEA)

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