UCSF

ZINC04158110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 6.40 1.02 -9.21 1 4 0 38 385.939 6
Mid Mid (pH 6-8) 6.40 1.2 -26 2 4 1 39 386.947 6

Activity (Go SEA)

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