UCSF

ZINC00183223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 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) 4.22 10.71 -38.3 1 2 1 8 259.417 3
Hi High (pH 8-9.5) 4.22 8.84 -2.23 0 2 0 6 258.409 3

Activity (Go SEA)

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