UCSF

ZINC19510384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.32 0.25 -51.78 5 5 1 91 242.343 4
Mid Mid (pH 6-8) -0.32 -0.03 -14.77 4 5 0 89 241.335 4

Activity (Go SEA)

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