UCSF

ZINC43457062

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.29 5.63 -11.67 2 4 0 57 280.327 4
Mid Mid (pH 6-8) 3.29 6.12 -30.89 3 4 1 59 281.335 4

Activity (Go SEA)

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