UCSF

ZINC36190107

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) -0.51 -0.64 -37.73 3 5 1 60 242.343 2
Mid Mid (pH 6-8) -0.51 1.5 -90.13 4 5 2 62 243.351 2

Activity (Go SEA)

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