UCSF

ZINC23363205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.34 9.55 -92.91 4 5 2 53 423.045 8
Mid Mid (pH 6-8) 3.34 8.38 -37.35 3 5 1 49 422.037 8
Lo Low (pH 4.5-6) 3.34 10.27 -101.37 4 5 2 50 423.045 8

Activity (Go SEA)

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