UCSF

ZINC19408672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 1.03 5.28 -49.99 2 3 1 37 219.308 1
Mid Mid (pH 6-8) 1.03 3.91 -8.02 1 3 0 32 218.3 1

Activity (Go SEA)

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