UCSF

ZINC20142496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 28 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) 3.72 9.44 -46.65 1 6 0 69 397.479 5
Hi High (pH 8-9.5) 3.90 7.89 -19.07 1 6 0 61 397.479 5
Mid Mid (pH 6-8) 3.72 7.17 -48.03 0 6 -1 68 396.471 5

Activity (Go SEA)

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