UCSF

ZINC08548768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.01 2.51 -9.93 2 4 0 58 240.262 1
Hi High (pH 8-9.5) 3.01 3.29 -50.15 1 4 -1 61 239.254 1

Activity (Go SEA)

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