UCSF

ZINC44201072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 3.15 5.16 -8.43 1 3 0 47 234.173 4
Mid Mid (pH 6-8) 3.15 6.17 -46.42 0 3 -1 49 233.165 4

Activity (Go SEA)

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