UCSF

ZINC25218552

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 17 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) 0.79 2.36 -55.36 3 4 1 54 239.27 3
Hi High (pH 8-9.5) 0.79 -0.05 -11.03 2 4 0 53 238.262 3

Activity (Go SEA)

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