UCSF

ZINC48298432

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 3.30 5.75 -4.82 2 2 0 32 253.345 3
Mid Mid (pH 6-8) 3.30 6.94 -47.17 3 2 1 37 254.353 3

Activity (Go SEA)

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