UCSF

ZINC45283533

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 27 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) 1.56 5.32 -14.39 2 6 0 81 370.449 8
Hi High (pH 8-9.5) 1.56 6.09 -50.6 1 6 -1 84 369.441 8

Activity (Go SEA)

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