UCSF

ZINC35611524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 Yes

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) 0.71 -1.24 -12.6 3 6 0 99 314.388 5
Mid Mid (pH 6-8) 1.16 -3.52 -42.22 2 6 -1 102 313.38 5

Activity (Go SEA)

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