UCSF

ZINC09009085

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 No

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) 3.88 10.8 -69.58 1 6 0 74 442.943 8
Hi High (pH 8-9.5) 3.88 8.26 -55.88 0 6 -1 73 441.935 8
Mid Mid (pH 6-8) 4.33 11.52 -50.12 2 6 1 71 443.951 7

Activity (Go SEA)

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