UCSF

ZINC31260946

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 20 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) 3.76 4.93 -47.07 2 4 -1 81 301.343 8
Mid Mid (pH 6-8) 3.76 6.09 -134.46 1 4 -2 83 300.335 8

Activity (Go SEA)

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