UCSF

ZINC36885833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.31 4.27 -59.42 1 6 -1 93 292.34 6
Mid Mid (pH 6-8) -0.14 7.3 -37.61 2 6 0 90 293.348 6

Activity (Go SEA)

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