UCSF

ZINC74923977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 20 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) 2.45 8.75 -11.45 0 3 0 33 288.778 5
Lo Low (pH 4.5-6) 2.45 9.21 -38.93 1 3 1 34 289.786 5

Activity (Go SEA)

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