UCSF

ZINC20523871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 15 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) 2.55 7.77 -97.22 3 2 2 21 212.381 4
Mid Mid (pH 6-8) 2.55 8.07 -98.18 3 2 2 21 212.381 4
Mid Mid (pH 6-8) 2.55 5.4 -33.78 2 2 1 20 211.373 4

Activity (Go SEA)

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