UCSF

ZINC34668828

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 2.09 4.31 -13.25 1 7 0 74 409.465 7
Mid Mid (pH 6-8) 2.09 6.58 -56.87 2 7 1 76 410.473 7
Lo Low (pH 4.5-6) 2.09 6.92 -96.39 3 7 2 77 411.481 7

Activity (Go SEA)

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