UCSF

ZINC19919317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.36 3.36 -42.59 3 3 1 40 237.367 7
Mid Mid (pH 6-8) 2.36 4.41 -36.9 3 3 1 37 237.367 7

Activity (Go SEA)

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