UCSF

ZINC29011128

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 21 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) 2.63 7.06 -51.45 1 7 -1 115 313.717 6
Lo Low (pH 4.5-6) 2.63 5.93 -14.15 2 7 0 112 314.725 6

Activity (Go SEA)

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