UCSF

ZINC40192001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.90 13.83 -13.4 1 6 0 65 469.585 12
Mid Mid (pH 6-8) 4.90 14.32 -36.19 2 6 1 67 470.593 12

Activity (Go SEA)

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