UCSF

ZINC36889668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 2.13 3.18 -7.99 1 3 0 42 214.334 4
Mid Mid (pH 6-8) 2.86 2.17 -40.26 0 3 -1 39 213.326 4

Activity (Go SEA)

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