UCSF

ZINC54836150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 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) 1.07 6.1 -49.25 0 5 -1 79 242.258 3
Lo Low (pH 4.5-6) 1.07 6.51 -56.94 1 5 0 80 243.266 3

Activity (Go SEA)

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