UCSF

ZINC19798681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 0.80 3.4 -73.87 1 6 -1 82 291.327 6
Mid Mid (pH 6-8) 0.80 5.73 -98.25 2 6 0 83 292.335 6

Activity (Go SEA)

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