UCSF

ZINC44722581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.24 0.96 -35.51 4 4 1 60 198.29 4
Hi High (pH 8-9.5) 0.24 -1.44 -6.8 3 4 0 58 197.282 4
Lo Low (pH 4.5-6) 0.24 2.02 -105.16 5 4 2 64 199.298 4

Activity (Go SEA)

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