UCSF

ZINC44242842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 2.23 3.16 -43.54 1 7 -1 115 377.221 4
Mid Mid (pH 6-8) 1.31 2.85 -107.44 0 7 -2 114 376.213 5

Activity (Go SEA)

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