UCSF

ZINC36894249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 2.20 2.83 -42.03 3 3 1 40 302.236 5
Mid Mid (pH 6-8) 2.20 5.25 -119.03 4 3 2 41 303.244 5

Activity (Go SEA)

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