UCSF

ZINC37858059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 29 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) 3.51 8.29 -12.52 0 6 0 65 389.407 4
Mid Mid (pH 6-8) 3.51 11.26 -44.79 1 6 1 66 390.415 4

Activity (Go SEA)

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