UCSF

ZINC19485015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 2.52 3.64 -12.53 4 4 0 75 290.75 2
Mid Mid (pH 6-8) 2.52 4.3 -44.23 3 4 -1 78 289.742 2

Activity (Go SEA)

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