UCSF

ZINC19855393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 4.36 8.96 -17.83 1 5 0 50 427.346 5
Mid Mid (pH 6-8) 4.36 11.27 -56.59 2 5 1 51 428.354 5
Mid Mid (pH 6-8) 4.36 9.37 -30.9 2 5 1 51 428.354 5
Lo Low (pH 4.5-6) 4.36 11.68 -111.38 3 5 2 53 429.362 5

Activity (Go SEA)

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