UCSF

ZINC34684280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.21 4.23 -10.78 1 7 0 71 410.449 6
Mid Mid (pH 6-8) 3.21 6.45 -53.2 2 7 1 72 411.457 6

Activity (Go SEA)

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