UCSF

ZINC12758963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 33 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) 1.29 4.72 -61.55 0 9 -1 105 453.471 7
Mid Mid (pH 6-8) 1.74 5.96 -63.03 2 9 1 103 455.487 6
Mid Mid (pH 6-8) 1.29 7.05 -80.47 1 9 0 106 454.479 7

Activity (Go SEA)

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