UCSF

ZINC01120931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 3.98 11.08 -54.54 0 5 -1 74 455.259 5
Mid Mid (pH 6-8) 4.43 8.92 -25.94 1 5 0 71 456.267 4
Mid Mid (pH 6-8) 3.40 9.9 -19.8 0 5 0 68 456.267 5

Activity (Go SEA)

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