UCSF

ZINC06752919

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 27 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) 4.91 8.35 -10.17 2 5 0 69 402.281 4
Mid Mid (pH 6-8) 4.91 9.13 -48.68 1 5 -1 72 401.273 4

Activity (Go SEA)

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