UCSF

ZINC42766494

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 No

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) 2.12 3.18 -5.61 2 3 0 42 253.293 5
Mid Mid (pH 6-8) 2.12 2.91 -30.76 3 3 1 43 254.301 5

Activity (Go SEA)

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