UCSF

ZINC12551000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 32 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) 5.31 14.84 -11.27 1 7 0 78 432.524 8
Hi High (pH 8-9.5) 5.49 14.76 -45.05 0 7 -1 80 431.516 8
Mid Mid (pH 6-8) 5.49 15.27 -26.12 2 7 1 83 433.532 8

Activity (Go SEA)

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