UCSF

ZINC44722804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 0.89 3.48 -36.04 3 4 1 46 226.344 5
Hi High (pH 8-9.5) 0.89 1.07 -7.26 2 4 0 44 225.336 5
Lo Low (pH 4.5-6) 0.89 4.65 -109.18 4 4 2 50 227.352 5

Activity (Go SEA)

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