UCSF

ZINC37078679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.98 4.15 -109.96 4 2 2 32 158.289 2
Hi High (pH 8-9.5) 0.98 2.11 -36.22 3 2 1 31 157.281 2
Hi High (pH 8-9.5) 0.98 3.92 -29.89 3 2 1 30 157.281 2

Activity (Go SEA)

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