UCSF

ZINC60049869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 11 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) 0.39 3.38 -38.62 2 3 1 34 159.253 4
Hi High (pH 8-9.5) 0.39 0.92 -6.81 1 3 0 32 158.245 4

Activity (Go SEA)

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