UCSF

ZINC40185170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 2.22 9.64 -17.01 1 7 0 80 403.486 9
Mid Mid (pH 6-8) 2.22 10.02 -30.69 2 7 1 81 404.494 9

Activity (Go SEA)

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