UCSF

ZINC42431883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 4.23 7.36 -5.62 2 1 0 26 259.399 2
Mid Mid (pH 6-8) 4.23 7.7 -42.23 3 1 1 28 260.407 2

Activity (Go SEA)

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