UCSF

ZINC31721033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 21 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) 2.29 1.9 -41.29 2 5 -1 91 327.744 4
Mid Mid (pH 6-8) 2.29 1.83 -20.11 3 5 0 89 328.752 4

Activity (Go SEA)

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