UCSF

ZINC37849723

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.27 2.66 -40.47 3 4 1 49 259.414 10
Mid Mid (pH 6-8) 1.27 3.33 -34.03 3 4 1 46 259.414 10

Activity (Go SEA)

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