UCSF

ZINC08695293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 38 No

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) 7.12 2.59 -53.5 2 6 1 71 521.722 15
Mid Mid (pH 6-8) 6.54 2.49 -64.63 1 6 1 68 521.722 15

Activity (Go SEA)

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