UCSF

ZINC21814089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.57 3.09 -49.37 3 4 -1 78 315.658 2
Mid Mid (pH 6-8) 2.57 2.38 -12.1 4 4 0 75 316.666 2

Activity (Go SEA)

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