UCSF

ZINC70513684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.36 5.27 -98.05 4 4 2 54 281.444 10
Hi High (pH 8-9.5) 1.36 2.95 -35.76 3 4 1 53 280.436 10
Hi High (pH 8-9.5) 1.36 4.02 -44.73 3 4 1 50 280.436 10

Activity (Go SEA)

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