UCSF

ZINC41200912

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.63 9.6 -32.94 2 2 1 29 279.473 8
Hi High (pH 8-9.5) 4.63 8.67 -3.54 1 2 0 25 278.465 8

Activity (Go SEA)

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