UCSF

ZINC20579101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) 1.46 6.4 -88.37 4 4 2 50 224.352 2
Hi High (pH 8-9.5) 1.46 4.03 -7.32 2 4 0 47 222.336 2
Mid Mid (pH 6-8) 1.46 6.27 -37.81 3 4 1 48 223.344 2

Activity (Go SEA)

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