UCSF

ZINC12231702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 32 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) 2.86 4.63 -13.97 0 10 0 106 436.472 6
Mid Mid (pH 6-8) 2.86 4.82 -35.54 1 10 1 107 437.48 6

Activity (Go SEA)

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