UCSF

ZINC34928608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.19 6.17 -28.58 3 5 0 85 279.246 2
Hi High (pH 8-9.5) -0.19 4.92 -49.88 2 5 -1 81 278.238 2
Hi High (pH 8-9.5) -0.19 4.93 -46.96 2 5 -1 81 278.238 2
Mid Mid (pH 6-8) -0.19 6.18 -33.94 3 5 0 85 279.246 2
Lo Low (pH 4.5-6) -0.19 6.64 -79.56 4 5 1 87 280.254 2

Activity (Go SEA)

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