UCSF

ZINC08894058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 5.43 13.07 -61.45 0 9 -1 128 514.539 6
Mid Mid (pH 6-8) 5.87 11.94 -35.2 1 9 0 126 515.547 5

Activity (Go SEA)

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