UCSF

ZINC37269538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) 2.29 6.85 -106.91 3 2 2 21 259.191 5
Hi High (pH 8-9.5) 2.29 3.03 -2.57 1 2 0 15 257.175 5
Hi High (pH 8-9.5) 2.29 5.41 -31.36 2 2 1 16 258.183 5
Mid Mid (pH 6-8) 2.29 4.48 -37.24 2 2 1 20 258.183 5

Activity (Go SEA)

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