UCSF

ZINC37039539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.34 7.51 -158.77 5 4 3 49 265.425 6
Hi High (pH 8-9.5) 1.34 5.28 -76.84 4 4 2 48 264.417 6
Mid Mid (pH 6-8) 1.34 7.19 -96.89 4 4 2 48 264.417 6
Mid Mid (pH 6-8) 1.34 4.97 -45.46 3 4 1 47 263.409 6

Activity (Go SEA)

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