UCSF

ZINC43457233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.66 8.12 -108.03 4 3 2 41 286.419 7
Hi High (pH 8-9.5) 2.66 7.56 -36.4 3 3 1 40 285.411 7
Hi High (pH 8-9.5) 2.66 7.81 -29.19 3 3 1 40 285.411 7

Activity (Go SEA)

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