UCSF

ZINC34572057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 6.36 13.67 -47.01 3 3 1 45 452.618 10
Hi High (pH 8-9.5) 6.36 12.19 -52.02 1 3 -1 47 450.602 10
Hi High (pH 8-9.5) 6.36 11.53 -7.95 2 3 0 44 451.61 10

Activity (Go SEA)

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