UCSF

ZINC37241737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.53 5.7 -30.53 2 2 1 16 197.346 3
Hi High (pH 8-9.5) 2.53 3.31 -0.58 1 2 0 15 196.338 3
Lo Low (pH 4.5-6) 2.53 4.49 -35.66 2 2 1 20 197.346 3
Lo Low (pH 4.5-6) 2.53 6.9 -106.11 3 2 2 21 198.354 3

Activity (Go SEA)

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