UCSF

ZINC37108244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

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) 1.89 5.36 -31.06 3 3 1 34 276.448 6
Hi High (pH 8-9.5) 1.89 5.98 -34.91 3 3 1 34 276.448 6
Mid Mid (pH 6-8) 1.89 3.9 -43.13 3 3 1 34 276.448 6
Mid Mid (pH 6-8) 1.89 5.64 -123.51 4 3 2 35 277.456 6

Activity (Go SEA)

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