UCSF

ZINC08695342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 35 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) 7.15 -0.12 -45.77 2 5 1 62 607.407 13
Mid Mid (pH 6-8) 6.57 -0.27 -55.17 1 5 1 58 607.407 13

Activity (Go SEA)

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