UCSF

ZINC37049520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.28 3.66 -110.96 4 4 2 48 264.417 6
Hi High (pH 8-9.5) 0.28 1.4 -3.88 2 4 0 45 262.401 6
Mid Mid (pH 6-8) 0.28 4.07 -100.95 4 4 2 48 264.417 6
Mid Mid (pH 6-8) 0.28 1.79 -44.92 3 4 1 47 263.409 6

Activity (Go SEA)

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