UCSF

ZINC49750932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 1.33 8.24 -55.45 2 5 1 70 309.393 4
Hi High (pH 8-9.5) 1.33 6.01 -14.27 1 5 0 69 308.385 4

Activity (Go SEA)

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