UCSF

ZINC37090007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 4.30 9.09 -41.4 2 2 1 26 292.349 5
Hi High (pH 8-9.5) 4.30 8.35 -4.47 1 2 0 21 291.341 5

Activity (Go SEA)

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