UCSF

ZINC33938646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 24 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) -0.49 2.64 -22.9 1 7 0 75 331.372 3
Hi High (pH 8-9.5) 0.81 1.64 -56.89 0 7 -1 78 330.364 3

Activity (Go SEA)

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