UCSF

ZINC42880128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.40 2.83 -54.02 3 6 1 82 268.289 7
Hi High (pH 8-9.5) 1.40 3.5 -41.73 2 6 0 84 267.281 7

Activity (Go SEA)

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