UCSF

ZINC34574859

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 2.25 6.13 -13.44 1 7 0 88 356.407 3
Hi High (pH 8-9.5) 2.71 4.41 -48.07 0 7 -1 91 355.399 3
Lo Low (pH 4.5-6) 2.25 6.59 -51.47 2 7 1 89 357.415 3

Activity (Go SEA)

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