UCSF

ZINC36204285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 2.12 8.06 -54.76 2 6 1 76 322.41 7
Mid Mid (pH 6-8) 2.58 5.58 -42.94 1 6 0 80 321.402 7

Activity (Go SEA)

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