UCSF

ZINC40177493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 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) 0.12 -1.21 -76.4 4 6 1 111 319.428 5
Mid Mid (pH 6-8) 0.12 -2.38 -19.9 3 6 0 106 318.42 5

Activity (Go SEA)

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