UCSF

ZINC43993831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.32 9.2 -97.34 3 3 2 36 257.381 3
Mid Mid (pH 6-8) 2.32 8.72 -39.72 2 3 1 34 256.373 3

Activity (Go SEA)

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