UCSF

ZINC36905060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.02 5.12 -9.83 1 4 0 63 261.35 2
Mid Mid (pH 6-8) 2.43 5.44 -8.28 2 4 0 65 261.35 2

Activity (Go SEA)

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