UCSF

ZINC41363484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 12 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) 2.04 4.15 -1.6 0 2 0 12 171.284 2
Mid Mid (pH 6-8) 2.04 5.82 -31.84 1 2 1 14 172.292 2

Activity (Go SEA)

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