UCSF

ZINC19868786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 13 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) 0.25 3.75 -35.15 3 4 1 67 177.231 3
Mid Mid (pH 6-8) 0.25 3.28 -9.4 2 4 0 66 176.223 3

Activity (Go SEA)

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