UCSF

ZINC06720105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 3.76 9.9 -39.71 0 5 -1 70 398.866 7
Mid Mid (pH 6-8) 4.21 8.04 -28.3 1 5 0 67 399.874 6
Mid Mid (pH 6-8) 3.18 9.02 -23.6 0 5 0 64 399.874 7

Activity (Go SEA)

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