UCSF

ZINC42369717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 1.44 6.75 -53.99 0 6 -1 70 268.337 7
Mid Mid (pH 6-8) 1.44 6.88 -41.35 1 6 0 72 269.345 7

Activity (Go SEA)

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