UCSF

ZINC13546744

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 4.54 6.77 -36.72 1 8 -1 123 384.393 4
Mid Mid (pH 6-8) 4.05 7.49 -96.58 0 8 -2 122 383.385 5
Mid Mid (pH 6-8) 4.54 5.84 -14.83 2 8 0 121 385.401 4
Mid Mid (pH 6-8) 4.05 6.51 -46.96 1 8 -1 119 384.393 5

Activity (Go SEA)

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