UCSF

ZINC41565787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 0.63 2.98 -41.92 2 6 1 63 292.407 7
Hi High (pH 8-9.5) 0.63 0.72 -9.26 1 6 0 61 291.399 7
Mid Mid (pH 6-8) 0.63 3.1 -40.38 2 6 1 63 292.407 7

Activity (Go SEA)

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