UCSF

ZINC11250086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2007 28 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) 3.69 7.68 -18.17 1 5 0 68 379.366 4
Mid Mid (pH 6-8) 3.76 6.34 -57.06 2 5 1 73 380.374 4

Activity (Go SEA)

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