UCSF

ZINC34681773

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 4.22 12.82 -45.53 2 5 1 50 461.533 6
Mid Mid (pH 6-8) 4.22 10.95 -12.79 1 5 0 48 460.525 6
Lo Low (pH 4.5-6) 4.22 13.14 -103.71 3 5 2 51 462.541 6

Activity (Go SEA)

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