UCSF

ZINC08917986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 0.61 -13.19 -34.17 8 14 0 216 472.462 8
Lo Low (pH 4.5-6) 0.61 -13.05 -45.67 9 14 1 217 473.47 8
Lo Low (pH 4.5-6) 0.61 -13.07 -50.28 9 14 1 217 473.47 8

Activity (Go SEA)

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