UCSF

ZINC37116775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.02 5.62 -116.72 4 4 2 51 284.444 3
Hi High (pH 8-9.5) 2.02 3.94 -40.54 3 4 1 49 283.436 3
Hi High (pH 8-9.5) 2.02 5.39 -29.9 3 4 1 49 283.436 3

Activity (Go SEA)

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