UCSF

ZINC44888688

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 0.88 2.6 -33.98 2 6 0 79 233.275 5
Hi High (pH 8-9.5) 0.88 1.31 -39.14 1 6 -1 74 232.267 5
Lo Low (pH 4.5-6) 0.88 2.6 -37.02 3 6 1 80 234.283 5

Activity (Go SEA)

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