UCSF

ZINC52274300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 0.98 2.97 -4.69 3 4 0 56 180.255 2
Mid Mid (pH 6-8) 0.98 3.09 -24.29 4 4 1 57 181.263 2

Activity (Go SEA)

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