UCSF

ZINC51504537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 25 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) 2.17 7.4 -58.63 3 5 1 63 344.41 7
Mid Mid (pH 6-8) 2.17 5.09 -15.37 2 5 0 61 343.402 7

Activity (Go SEA)

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