UCSF

ZINC02501861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 34 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) 4.24 11.89 -55.9 0 7 -1 95 468.514 6
Mid Mid (pH 6-8) 4.68 0.32 -25.57 1 7 0 92 469.522 5
Mid Mid (pH 6-8) 3.65 0.62 -17.77 0 7 0 89 469.522 6

Activity (Go SEA)

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