UCSF

ZINC49700061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 3.60 7.17 -8.94 0 4 0 41 358.507 4
Mid Mid (pH 6-8) 3.60 9.18 -42.86 1 4 1 42 359.515 4

Activity (Go SEA)

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