UCSF

ZINC44722746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 0.73 5.45 -36.42 2 4 1 34 257.308 5
Hi High (pH 8-9.5) 0.73 3.11 -6.86 1 4 0 33 256.3 5
Lo Low (pH 4.5-6) 0.73 5.85 -82.04 3 4 2 36 258.316 5

Activity (Go SEA)

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