UCSF

ZINC19902003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 4.20 5.54 -36.94 1 3 -1 44 297.161 4
Mid Mid (pH 6-8) 4.20 4.89 -4.99 2 3 0 41 298.169 4

Activity (Go SEA)

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