UCSF

ZINC44512303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 2.71 6.72 -103.1 4 2 2 32 305.285 3
Mid Mid (pH 6-8) 2.71 4.49 -44.91 3 2 1 31 304.277 3

Activity (Go SEA)

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