UCSF

ZINC40086361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 22 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) 3.72 8.2 -55.78 2 3 1 39 304.316 5
Hi High (pH 8-9.5) 3.72 6.84 -10.46 1 3 0 34 303.308 5

Activity (Go SEA)

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