UCSF

ZINC36175533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.45 5.25 -11.01 1 5 0 58 256.309 4
Lo Low (pH 4.5-6) 0.45 5.72 -37.5 2 5 1 59 257.317 4

Activity (Go SEA)

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