UCSF

ZINC49031742

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) -0.33 10.82 -44.1 1 9 1 109 294.291 8
Mid Mid (pH 6-8) -0.33 10.31 -15.05 0 9 0 108 293.283 8

Activity (Go SEA)

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