UCSF

ZINC31978634

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.52 7.87 -46.76 1 3 1 31 236.335 6
Hi High (pH 8-9.5) 2.52 5.66 -7.21 0 3 0 30 235.327 6

Activity (Go SEA)

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