UCSF

ZINC36924139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 12 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) -0.25 1.11 -5.72 1 5 0 72 170.168 2
Mid Mid (pH 6-8) 0.20 -1.64 -36.08 0 5 -1 75 169.16 2

Activity (Go SEA)

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