UCSF

ZINC37045683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.21 3.1 -45.89 3 5 1 64 283.373 6
Mid Mid (pH 6-8) 1.21 1.73 -10.25 2 5 0 60 282.365 6

Activity (Go SEA)

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