UCSF

ZINC43461112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 1.54 2.98 -8.38 1 4 0 51 242.076 2
Mid Mid (pH 6-8) 1.54 2.35 -38.64 0 4 -1 49 241.068 2

Activity (Go SEA)

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