UCSF

ZINC54296597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 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) 1.08 5.63 -54.17 0 5 -1 70 214.241 4
Lo Low (pH 4.5-6) 1.08 3.64 -13.91 1 5 0 67 215.249 4

Activity (Go SEA)

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