UCSF

ZINC36769780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 2.10 4.69 -6.87 0 3 0 36 208.305 2
Mid Mid (pH 6-8) 2.10 6.35 -36.46 1 3 1 37 209.313 2

Activity (Go SEA)

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