UCSF

ZINC36353511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 2.78 7.69 -16.92 1 7 0 83 402.52 6
Hi High (pH 8-9.5) 2.78 8.06 -33.23 1 7 0 86 402.52 6
Mid Mid (pH 6-8) 2.78 7.71 -60.18 0 7 -1 85 401.512 6

Activity (Go SEA)

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