UCSF

ZINC41679268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.78 7.93 -58.14 0 5 -1 67 275.328 6
Mid Mid (pH 6-8) 2.78 8.21 -54.14 1 5 0 68 276.336 6

Activity (Go SEA)

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