UCSF

ZINC42864289

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.15 6.81 -33.82 2 2 1 16 225.4 4
Hi High (pH 8-9.5) 3.15 4.82 -0.43 1 2 0 15 224.392 4
Lo Low (pH 4.5-6) 3.15 6.03 -35.53 2 2 1 20 225.4 4
Lo Low (pH 4.5-6) 3.15 8.02 -109.86 3 2 2 21 226.408 4

Activity (Go SEA)

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