UCSF

ZINC59495145

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 12 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) -0.28 0.98 -90.55 6 4 2 73 170.26 4
Mid Mid (pH 6-8) -0.28 0.58 -51.29 5 4 1 71 169.252 4

Activity (Go SEA)

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