UCSF

ZINC35054346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 3.04 8.25 -31.13 2 2 1 16 310.259 4
Mid Mid (pH 6-8) 3.04 7.25 -34.87 2 2 1 20 310.259 4

Activity (Go SEA)

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