UCSF

ZINC06744959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 4.03 7.93 -11.38 2 6 0 78 411.889 7
Mid Mid (pH 6-8) 4.03 8.7 -51.22 1 6 -1 81 410.881 7

Activity (Go SEA)

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