UCSF

ZINC01132799

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 3.58 10.55 -45.29 0 6 -1 83 420.416 7
Mid Mid (pH 6-8) 4.03 8.98 -25.34 1 6 0 80 421.424 6
Mid Mid (pH 6-8) 3.00 10.02 -16.29 0 6 0 77 421.424 7

Activity (Go SEA)

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