UCSF

ZINC44658483

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.62 4.81 -52.76 2 5 1 63 257.354 8
Mid Mid (pH 6-8) 0.62 3.54 -9.57 1 5 0 59 256.346 8

Activity (Go SEA)

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