UCSF

ZINC44722747

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 5.54 -35.72 2 4 1 34 257.308 5
Hi High (pH 8-9.5) 0.73 3.13 -7 1 4 0 33 256.3 5
Lo Low (pH 4.5-6) 0.73 5.95 -81.68 3 4 2 36 258.316 5

Activity (Go SEA)

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