UCSF

ZINC70826744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2011 23 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) 3.65 6.53 -45.19 2 5 1 52 316.377 6
Hi High (pH 8-9.5) 3.65 3.91 -7.36 1 5 0 51 315.369 6

Activity (Go SEA)

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