UCSF

ZINC42171928

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) 0.95 5.12 -82.67 3 3 2 24 213.369 3
Hi High (pH 8-9.5) 0.95 3.7 -30.21 2 3 1 20 212.361 3

Activity (Go SEA)

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