UCSF

ZINC36128720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.60 6.74 -101.99 4 3 2 45 269.392 4
Hi High (pH 8-9.5) 1.60 6.34 -37.98 3 3 1 43 268.384 4

Activity (Go SEA)

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