UCSF

ZINC06382361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 2.68 6.68 -64 1 6 -1 90 380.42 6
Mid Mid (pH 6-8) 2.68 -0.99 -10.55 2 6 0 87 381.428 6
Mid Mid (pH 6-8) 2.10 -1.01 -18.27 1 6 0 83 381.428 6

Activity (Go SEA)

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