UCSF

ZINC35682680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 4.60 4.02 -9.29 2 4 0 66 325.817 4
Mid Mid (pH 6-8) 4.60 4.78 -39.26 1 4 -1 69 324.809 4

Activity (Go SEA)

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