UCSF

ZINC36230913

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.08 2.13 -91.29 4 4 2 45 229.368 4
Mid Mid (pH 6-8) -0.08 -0.12 -43.36 3 4 1 43 228.36 4

Activity (Go SEA)

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