UCSF

ZINC70517419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 4.42 6.35 -33.55 3 3 1 46 286.48 8
Hi High (pH 8-9.5) 4.42 5.09 -0.89 2 3 0 41 285.472 8

Activity (Go SEA)

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