UCSF

ZINC19518220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 2.61 6.57 -47.59 4 3 1 57 269.368 4
Mid Mid (pH 6-8) 2.61 6.24 -10.29 3 3 0 55 268.36 4

Activity (Go SEA)

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