UCSF

ZINC43704439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.01 6.23 -49.62 1 5 0 67 290.113 3
Mid Mid (pH 6-8) 1.01 3.95 -44.8 0 5 -1 66 289.105 3

Activity (Go SEA)

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