UCSF

ZINC36900706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) -1.34 -2.62 -103.52 0 8 -2 127 259.243 6
Lo Low (pH 4.5-6) -1.34 -1.88 -51.89 1 8 -1 125 260.251 6

Activity (Go SEA)

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