UCSF

ZINC09281885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 26 Yes

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) 2.52 5.39 -16.19 1 7 0 90 349.346 4
Lo Low (pH 4.5-6) 2.97 6.31 -103.5 3 7 2 93 351.362 3

Activity (Go SEA)

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