UCSF

ZINC37009591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.91 6.06 -7.56 0 4 0 52 271.707 3
Lo Low (pH 4.5-6) 2.91 6.52 -40.99 1 4 1 53 272.715 3

Activity (Go SEA)

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