UCSF

ZINC34990007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

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) 2.22 8.09 -43.72 1 6 1 71 292.359 6
Mid Mid (pH 6-8) 2.22 5.82 -9.69 0 6 0 69 291.351 6

Activity (Go SEA)

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