UCSF

ZINC13569757

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 37 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) 4.87 14.76 -76.14 1 6 0 74 502.586 10
Mid Mid (pH 6-8) 5.32 13.83 -46.28 2 6 1 71 503.594 9
Mid Mid (pH 6-8) 4.29 13.94 -44.38 1 6 1 68 503.594 10

Activity (Go SEA)

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