UCSF

ZINC37574416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 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) 3.57 4.37 -6.05 0 4 0 41 426.174 4
Mid Mid (pH 6-8) 3.57 6.59 -42.53 1 4 1 42 427.182 4

Activity (Go SEA)

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