UCSF

ZINC09130718

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 32 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) 1.43 4.11 -45.33 1 9 -1 118 442.444 9
Mid Mid (pH 6-8) 1.88 2.22 -33.44 2 9 0 115 443.452 8
Mid Mid (pH 6-8) 0.85 3.25 -26.49 1 9 0 112 443.452 9

Activity (Go SEA)

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