UCSF

ZINC42278478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 2.03 4.71 -9.15 0 5 0 55 292.379 10
Mid Mid (pH 6-8) 2.03 6.85 -34.65 1 5 1 56 293.387 10

Activity (Go SEA)

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