UCSF

ZINC00542777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 21 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) 2.91 8.22 -44.19 2 4 1 47 287.383 4
Hi High (pH 8-9.5) 2.91 6.19 -18.11 1 4 0 45 286.375 4

Activity (Go SEA)

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