UCSF

ZINC44513632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 0.14 3.35 -110.34 5 5 2 74 256.375 4
Mid Mid (pH 6-8) -0.04 2.73 -91.92 4 5 1 80 255.367 4

Activity (Go SEA)

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