UCSF

ZINC41194023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.47 8.06 -32.53 2 3 1 39 303.451 4
Mid Mid (pH 6-8) 3.47 6.12 -6.94 1 3 0 34 302.443 4

Activity (Go SEA)

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