UCSF

ZINC61635867

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 17 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) 1.18 5.44 -45.75 2 5 1 51 239.343 6
Hi High (pH 8-9.5) 1.18 2.98 -11.47 1 5 0 50 238.335 6

Activity (Go SEA)

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