UCSF

ZINC03215354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 2.96 8.79 -26.56 2 8 0 102 462.531 6
Hi High (pH 8-9.5) 2.96 9.19 -83.27 1 8 -1 104 461.523 6

Activity (Go SEA)

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