UCSF

ZINC51535971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.54 7.87 -37.88 1 6 1 46 362.494 6
Hi High (pH 8-9.5) 1.54 5.65 -12.85 0 6 0 45 361.486 6

Activity (Go SEA)

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