UCSF

ZINC52296015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) -0.52 0.81 -5.82 1 5 0 72 168.152 1
Mid Mid (pH 6-8) -0.06 -2.01 -35.63 0 5 -1 75 167.144 1

Activity (Go SEA)

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