UCSF

ZINC42807705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.86 1.36 -12.86 3 6 0 98 313.404 5
Mid Mid (pH 6-8) 0.93 1.1 -44.63 2 6 -1 96 312.396 6

Activity (Go SEA)

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