UCSF

ZINC35733720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) 1.11 2.81 -41.54 4 3 1 57 199.318 5
Hi High (pH 8-9.5) 1.11 2.52 -4.9 3 3 0 55 198.31 5

Activity (Go SEA)

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