UCSF

ZINC60200580

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 26 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) 1.44 5.74 -78.87 4 6 2 68 370.534 19
Hi High (pH 8-9.5) 1.44 3.81 -37.45 3 6 1 67 369.526 19

Activity (Go SEA)

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