UCSF

ZINC20996337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 2.52 6.86 -47.72 2 6 1 63 374.534 5
Hi High (pH 8-9.5) 2.52 4.58 -13.75 1 6 0 61 373.526 5

Activity (Go SEA)

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