UCSF

ZINC12021992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 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) 2.61 7.29 -54.75 2 8 1 97 472.587 7
Hi High (pH 8-9.5) 2.61 5.2 -22.12 1 8 0 96 471.579 7

Activity (Go SEA)

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