UCSF

ZINC01120803

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 30 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 10.01 -40.74 0 6 -1 83 467.295 6
Mid Mid (pH 6-8) 3.29 -0.14 -25.77 0 6 0 76 468.303 6

Activity (Go SEA)

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