UCSF

ZINC33853682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 33 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) 2.04 5.73 -67.07 4 8 1 103 455.531 12
Hi High (pH 8-9.5) 2.04 4.37 -17.48 3 8 0 98 454.523 12

Activity (Go SEA)

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