UCSF

ZINC42952957

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 4.06 6.44 -41.47 3 2 1 31 328.318 7
Mid Mid (pH 6-8) 4.06 7.73 -31.99 3 2 1 30 328.318 7

Activity (Go SEA)

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