UCSF

ZINC19901235

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) 3.74 5.48 -48.73 3 3 1 46 303.22 7
Mid Mid (pH 6-8) 3.74 6.25 -63.45 2 3 0 49 302.212 7

Activity (Go SEA)

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