UCSF

ZINC37079940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.68 8.71 -119.07 4 2 2 32 260.425 4
Hi High (pH 8-9.5) 2.68 8.44 -30.81 3 2 1 30 259.417 4
Hi High (pH 8-9.5) 2.68 6.88 -40.93 3 2 1 31 259.417 4

Activity (Go SEA)

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