UCSF

ZINC19939079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 3.97 11.92 -95.53 4 5 2 50 471.089 9
Hi High (pH 8-9.5) 3.97 9.81 -51.67 3 5 1 49 470.081 9

Activity (Go SEA)

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