UCSF

ZINC19853715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 2.92 6.86 -39.69 1 4 1 26 289.399 3
Hi High (pH 8-9.5) 2.92 4.59 -5.14 0 4 0 25 288.391 3
Mid Mid (pH 6-8) 2.92 6.92 -41.68 1 4 1 26 289.399 3

Activity (Go SEA)

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