UCSF

ZINC44685843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.64 6.36 -34.58 2 4 1 35 340.241 4
Hi High (pH 8-9.5) 2.64 3.95 -4.3 1 4 0 34 339.233 4

Activity (Go SEA)

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