UCSF

ZINC42172038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 15 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) 0.43 5.4 -107.68 3 3 2 30 214.353 4
Hi High (pH 8-9.5) 0.43 4.22 -33 2 3 1 26 213.345 4
Hi High (pH 8-9.5) 0.43 3.17 -38.08 2 3 1 29 213.345 4

Activity (Go SEA)

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