UCSF

ZINC35058471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) -0.08 1.72 -14.14 2 6 0 67 251.334 4
Mid Mid (pH 6-8) -0.08 3.92 -51.84 3 6 1 69 252.342 4

Activity (Go SEA)

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