UCSF

ZINC60647914

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 20 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) 4.61 8.59 -39.35 2 3 1 35 475.039 10
Hi High (pH 8-9.5) 4.61 7.19 -3.24 1 3 0 30 474.031 10

Activity (Go SEA)

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