UCSF

ZINC43909841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 4.24 9.74 -109.03 3 2 2 21 264.457 8
Mid Mid (pH 6-8) 4.24 8.72 -31.55 2 2 1 16 263.449 8

Activity (Go SEA)

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