UCSF

ZINC06420230

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 27 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) 3.29 8.94 -57.03 0 5 -1 70 384.839 7
Mid Mid (pH 6-8) 2.70 -0.22 -12.02 0 5 0 63 385.847 7
Mid Mid (pH 6-8) 3.73 0.06 -21.63 1 5 0 66 385.847 6

Activity (Go SEA)

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