UCSF

ZINC36965054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) -1.13 3.53 -15.41 1 6 0 70 287.319 2
Mid Mid (pH 6-8) -1.13 4.83 -53.5 2 6 1 74 288.327 2

Activity (Go SEA)

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