UCSF

ZINC76449175

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2012 21 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) 2.58 7.47 -10.51 1 3 0 42 286.35 4
Lo Low (pH 4.5-6) 2.58 7.91 -32.98 2 3 1 43 287.358 4

Activity (Go SEA)

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