UCSF

ZINC20997176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 31 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) 4.03 10.64 -60.04 3 5 1 54 421.609 7
Mid Mid (pH 6-8) 4.03 11.39 -39.46 3 5 1 50 421.609 7
Lo Low (pH 4.5-6) 4.03 12.67 -126.68 4 5 2 55 422.617 7

Activity (Go SEA)

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