UCSF

ZINC70012122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.57 5.23 -33.94 2 4 1 43 241.355 7
Hi High (pH 8-9.5) 1.57 3.16 -7.48 1 4 0 42 240.347 7

Activity (Go SEA)

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