UCSF

ZINC19854760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 No

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) 4.85 10.85 -7.99 0 2 0 20 317.432 2
Lo Low (pH 4.5-6) 4.85 13.21 -44.48 1 2 1 22 318.44 2

Activity (Go SEA)

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