UCSF

ZINC34958516

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.29 1.93 -34.51 4 4 1 74 194.258 6
Hi High (pH 8-9.5) -2.62 2.1 -10.52 4 4 0 74 193.25 6
Lo Low (pH 4.5-6) 0.29 2.28 -76.83 5 4 2 75 195.266 6

Activity (Go SEA)

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