UCSF

ZINC41681694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.02 2.25 -103.53 4 6 2 70 294.465 8
Mid Mid (pH 6-8) 0.02 1.06 -41.65 3 6 1 66 293.457 8

Activity (Go SEA)

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