UCSF

ZINC09476790

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 24 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) 3.58 -2.96 -14.22 2 5 0 72 358.492 5
Lo Low (pH 4.5-6) 3.58 -2.78 -34.11 3 5 1 73 359.5 5
Lo Low (pH 4.5-6) 3.58 -2.74 -33.45 3 5 1 73 359.5 5

Activity (Go SEA)

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