UCSF

ZINC11256686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 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) 4.20 8.29 -16.29 2 4 0 54 330.334 6
Mid Mid (pH 6-8) 3.72 5.1 -13.28 2 4 0 58 330.334 6

Activity (Go SEA)

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