UCSF

ZINC33679099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 5.51 11.68 -21.64 2 7 0 91 527.518 13
Hi High (pH 8-9.5) 5.33 10.61 -55.79 1 7 -1 98 526.51 13

Activity (Go SEA)

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