UCSF

ZINC06786367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 3.52 9.59 -62.62 0 5 -1 70 386.427 6
Mid Mid (pH 6-8) 3.97 -1.12 -26.62 1 5 0 66 387.435 5
Mid Mid (pH 6-8) 2.94 0.52 -11.99 0 5 0 63 387.435 6

Activity (Go SEA)

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