UCSF

ZINC09186516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 31 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) 3.31 8.4 -61.48 0 6 -1 73 484.37 7
Mid Mid (pH 6-8) 3.76 10.6 -45.86 2 6 1 71 486.386 6
Mid Mid (pH 6-8) 3.31 10.73 -79.99 1 6 0 74 485.378 7

Activity (Go SEA)

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