UCSF

ZINC40186118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 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) 5.51 13.13 -11.33 1 4 0 47 405.501 5
Mid Mid (pH 6-8) 5.51 13.84 -33.35 2 4 1 48 406.509 5

Activity (Go SEA)

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