UCSF

ZINC06729416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 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) 3.08 7.65 -22.91 1 8 0 94 405.458 4
Ref Reference (pH 7) 3.08 7.04 -15.36 1 8 0 94 405.458 4
Ref Reference (pH 7) 3.08 6.58 -15.41 1 8 0 94 405.458 4
Ref Reference (pH 7) 3.08 6.54 -12.92 1 8 0 94 405.458 4

Activity (Go SEA)

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