UCSF

ZINC13642966

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 1.03 7.84 -20.4 2 7 0 95 352.394 5
Ref Reference (pH 7) 2.88 3.6 -16.36 4 7 0 103 352.394 5
Hi High (pH 8-9.5) 2.88 4.38 -62.59 3 7 -1 106 351.386 5
Hi High (pH 8-9.5) 2.88 4.44 -60.99 3 7 -1 106 351.386 5
Mid Mid (pH 6-8) 2.88 3.66 -14.58 4 7 0 103 352.394 5

Activity (Go SEA)

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