UCSF

ZINC34603844

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 3.92 8.18 -41.49 2 2 1 20 275.322 3
Hi High (pH 8-9.5) 3.92 6.74 -4.36 1 2 0 15 274.314 3

Activity (Go SEA)

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