UCSF

ZINC00940438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 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) 2.65 11.75 -13.56 1 8 0 88 372.425 7
Hi High (pH 8-9.5) 2.82 11.52 -38.91 0 8 -1 89 371.417 7

Activity (Go SEA)

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