UCSF

ZINC37051502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.29 3.32 -37.64 2 4 1 44 224.328 4
Hi High (pH 8-9.5) 0.29 2.89 -6.72 1 4 0 39 223.32 4
Lo Low (pH 4.5-6) 0.29 3.5 -91.8 3 4 2 45 225.336 4

Activity (Go SEA)

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