UCSF

ZINC23535161

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 25 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) 1.88 4.88 -17.41 1 6 0 70 340.379 3
Hi High (pH 8-9.5) 1.88 5.7 -57.64 0 6 -1 73 339.371 3

Activity (Go SEA)

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