UCSF

ZINC05808067

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 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) 6.13 9.37 -28.16 2 4 1 45 337.443 7
Hi High (pH 8-9.5) 6.13 8.99 -7.52 1 4 0 43 336.435 7

Activity (Go SEA)

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