UCSF

ZINC51355108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 13 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) -2.16 -3.81 -51.36 6 7 1 118 186.195 4
Mid Mid (pH 6-8) -1.70 -5.47 -65.71 5 7 0 121 185.187 4

Activity (Go SEA)

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