UCSF

ZINC20515303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 24 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) -0.11 6.34 -37.53 1 7 1 65 330.412 5
Mid Mid (pH 6-8) -0.11 5.9 -10.98 0 7 0 63 329.404 5

Activity (Go SEA)

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