UCSF

ZINC34823052

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 2.18 5.75 -41.8 2 3 1 29 286.193 3
Hi High (pH 8-9.5) 2.18 4.26 -2.49 1 3 0 24 285.185 3

Activity (Go SEA)

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