UCSF

ZINC42777177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.73 7.49 -37.58 2 4 1 38 267.441 6
Hi High (pH 8-9.5) 2.73 6.25 -24.09 2 4 1 34 267.441 6
Hi High (pH 8-9.5) 2.73 6.12 -4.1 1 4 0 33 266.433 6
Mid Mid (pH 6-8) 2.73 7.62 -92.13 3 4 2 39 268.449 6

Activity (Go SEA)

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