UCSF

ZINC37082049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.53 1.99 -94.43 4 3 2 41 176.304 6
Hi High (pH 8-9.5) 0.53 2.52 -37.69 3 3 1 44 175.296 6
Hi High (pH 8-9.5) 0.53 0.54 -30.8 3 3 1 37 175.296 6

Activity (Go SEA)

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