UCSF

ZINC36174603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 No

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) 3.44 6.2 -14.95 2 7 0 108 319.704 4
Mid Mid (pH 6-8) 3.44 7.2 -48.53 1 7 -1 110 318.696 4

Activity (Go SEA)

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