UCSF

ZINC04339402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 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) 2.74 5.36 -11.81 1 3 0 47 264.227 1
Hi High (pH 8-9.5) 2.74 6.11 -52.76 0 3 -1 49 263.219 1

Activity (Go SEA)

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