UCSF

ZINC06294835

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 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) 4.00 10.51 -37.05 0 5 -1 70 416.428 6
Mid Mid (pH 6-8) 4.00 1.79 -12.14 1 5 0 66 417.436 6
Mid Mid (pH 6-8) 3.41 1.69 -21.05 0 5 0 63 417.436 6

Activity (Go SEA)

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