UCSF

ZINC36986769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 0.53 4.99 -103.02 4 3 2 45 209.337 6
Mid Mid (pH 6-8) 0.53 2.92 -43.81 3 3 1 44 208.329 6

Activity (Go SEA)

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