UCSF

ZINC44243539

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.34 1.19 -8.97 3 5 0 85 342.218 4
Hi High (pH 8-9.5) 1.34 0.79 -40.51 2 5 -1 87 341.21 4

Activity (Go SEA)

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