UCSF

ZINC33818903

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 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) 2.06 7.01 -11.37 2 5 0 70 328.343 4
Mid Mid (pH 6-8) 2.06 8.16 -56.61 1 5 -1 72 327.335 4

Activity (Go SEA)

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