UCSF

ZINC42781181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.36 4.77 -35.11 2 4 1 46 243.371 5
Hi High (pH 8-9.5) 1.36 3.35 -4.57 1 4 0 42 242.363 5

Activity (Go SEA)

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