UCSF

ZINC04110646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 30 No

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) 2.77 8.34 -19.72 1 7 0 92 434.399 4
Mid Mid (pH 6-8) 2.84 6.68 -47.99 0 7 -1 99 433.391 4

Activity (Go SEA)

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