UCSF

ZINC09507352

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 38 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) 5.01 14.8 -42.43 0 6 -1 83 503.578 8
Mid Mid (pH 6-8) 5.46 13.42 -30.04 1 6 0 80 504.586 7
Lo Low (pH 4.5-6) 5.46 13.7 -61.66 2 6 1 81 505.594 7

Activity (Go SEA)

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