UCSF

ZINC35303339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) -1.03 5.44 -40.49 2 6 0 87 269.326 4
Mid Mid (pH 6-8) -1.21 4.7 -53.09 1 6 -1 93 268.318 4

Activity (Go SEA)

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