UCSF

ZINC08692804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 25 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 6.68 -16.92 2 5 0 75 373.503 5
Mid Mid (pH 6-8) 4.69 5.44 -47.41 1 5 -1 78 372.495 5

Activity (Go SEA)

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