UCSF

ZINC36134887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.61 6.73 -38.25 2 3 1 37 251.375 3
Mid Mid (pH 6-8) 1.61 5.65 -10.63 1 3 0 32 250.367 3

Activity (Go SEA)

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