UCSF

ZINC46723151

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 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) 1.53 4.63 -42.88 3 6 1 71 275.332 6
Hi High (pH 8-9.5) 1.53 2.17 -10.88 2 6 0 70 274.324 6
Hi High (pH 8-9.5) 1.53 2.1 -12.19 2 6 0 70 274.324 6
Mid Mid (pH 6-8) 1.53 4.64 -42.68 3 6 1 71 275.332 6

Activity (Go SEA)

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