UCSF

ZINC49850544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 17 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) 2.27 7.35 -49.52 2 4 0 66 302.168 6
Hi High (pH 8-9.5) 2.27 5.96 -45.62 1 4 -1 61 301.16 6

Activity (Go SEA)

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