UCSF

ZINC06781114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.64 7 -66.84 1 6 -1 90 381.383 6
Mid Mid (pH 6-8) 1.06 -0.93 -18.71 1 6 0 83 382.391 6
Mid Mid (pH 6-8) 2.09 -0.9 -22.92 2 6 0 86 382.391 5

Activity (Go SEA)

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