UCSF

ZINC52287937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.50 4.58 -28.3 2 3 1 35 221.324 4
Hi High (pH 8-9.5) 2.50 4.06 -4.12 1 3 0 34 220.316 4
Mid Mid (pH 6-8) 2.50 5.36 -35.08 2 3 1 39 221.324 4
Lo Low (pH 4.5-6) 2.50 5.89 -103.09 3 3 2 40 222.332 4

Activity (Go SEA)

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