UCSF

ZINC44713036

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) 1.77 4.46 -42.88 1 4 -1 69 287.036 1
Mid Mid (pH 6-8) 1.77 4.89 -37.13 2 4 0 70 288.044 1

Activity (Go SEA)

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