UCSF

ZINC19877239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 4.61 6.75 -34.48 1 2 -1 35 281.162 3
Mid Mid (pH 6-8) 4.61 6.09 -4.3 2 2 0 32 282.17 3

Activity (Go SEA)

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