UCSF

ZINC37494118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 15 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) 0.26 3.6 -51.36 1 5 -1 81 216.257 8
Lo Low (pH 4.5-6) 0.26 1.63 -9.99 2 5 0 78 217.265 8

Activity (Go SEA)

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