UCSF

ZINC09404851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 5.69 8.56 -14.87 1 6 0 81 455.536 4
Mid Mid (pH 6-8) 5.69 8.29 -55.12 0 6 -1 83 454.528 4
Mid Mid (pH 6-8) 5.69 9.33 -61.66 0 6 -1 83 454.528 4

Activity (Go SEA)

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