UCSF

ZINC44413403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 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) 1.54 4.77 -43.05 4 4 1 63 240.302 6
Mid Mid (pH 6-8) 1.54 2.64 -6.2 3 4 0 62 239.294 6

Activity (Go SEA)

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