UCSF

ZINC34960496

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.61 8.39 -108.43 4 2 2 32 254.462 6
Hi High (pH 8-9.5) 3.61 8.01 -32.67 3 2 1 30 253.454 6
Hi High (pH 8-9.5) 3.61 6.64 -42.09 3 2 1 31 253.454 6

Activity (Go SEA)

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