UCSF

ZINC45695125

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 0.81 7.61 -85.52 4 3 2 35 251.418 7
Hi High (pH 8-9.5) 0.81 5.13 -41.22 3 3 1 34 250.41 7

Activity (Go SEA)

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