UCSF

ZINC36170788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.97 5.53 -106.02 4 3 2 35 283.847 4
Mid Mid (pH 6-8) 1.97 3.34 -48.52 3 3 1 34 282.839 4

Activity (Go SEA)

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