UCSF

ZINC36889882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 4.01 7.05 -42.64 0 3 -1 53 247.657 3
Mid Mid (pH 6-8) 2.81 8.81 -14.09 0 3 0 47 248.665 4

Activity (Go SEA)

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