UCSF

ZINC12021965

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) 2.96 6.83 -55.43 2 8 1 97 474.603 9
Hi High (pH 8-9.5) 2.96 5.05 -20.92 1 8 0 96 473.595 9

Activity (Go SEA)

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