UCSF

ZINC36678504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 2.11 5.29 -113.61 5 3 2 56 239.338 6
Mid Mid (pH 6-8) -0.80 6.22 -31.79 5 3 1 56 238.33 6

Activity (Go SEA)

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