UCSF

ZINC33832011

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 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) 1.56 7.84 -68.98 2 6 0 83 354.406 1
Hi High (pH 8-9.5) 1.56 5.6 -54.94 1 6 -1 82 353.398 1
Lo Low (pH 4.5-6) 1.56 5.98 -48.28 3 6 1 80 355.414 1

Activity (Go SEA)

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