UCSF

ZINC36170757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.35 4.35 -103.56 4 4 2 45 279.428 5
Mid Mid (pH 6-8) 1.35 1.93 -47.81 3 4 1 43 278.42 5

Activity (Go SEA)

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