UCSF

ZINC49193883

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 3.83 6.23 -25.85 4 3 1 52 222.356 7
Mid Mid (pH 6-8) 3.83 5.78 -4.28 3 3 0 51 221.348 7

Activity (Go SEA)

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