UCSF

ZINC34319253

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) 3.33 10.55 -34.53 1 3 1 31 284.379 7
Mid Mid (pH 6-8) 3.33 8.86 -6.55 0 3 0 30 283.371 7

Activity (Go SEA)

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