UCSF

ZINC36789402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 3.40 7.45 -22.22 2 3 1 38 259.373 5
Mid Mid (pH 6-8) 3.40 7.17 -8.52 1 3 0 36 258.365 5

Activity (Go SEA)

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