UCSF

ZINC23067332

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) -0.35 3.55 -43.36 3 3 1 40 233.335 1
Hi High (pH 8-9.5) -0.35 3.23 -4.05 2 3 0 38 232.327 1
Lo Low (pH 4.5-6) -0.35 5.54 -131.06 4 3 2 41 234.343 1

Activity (Go SEA)

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