UCSF

ZINC42825607

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.62 4.87 -111.75 4 3 2 42 216.369 7
Hi High (pH 8-9.5) 1.62 2.49 -1.38 2 3 0 33 214.353 7
Mid Mid (pH 6-8) 1.62 3.53 -33.44 3 3 1 38 215.361 7
Mid Mid (pH 6-8) 1.62 3.84 -35.92 3 3 1 38 215.361 7

Activity (Go SEA)

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