UCSF

ZINC08695200

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) 6.84 14.74 -47.56 2 5 1 62 518.505 13
Mid Mid (pH 6-8) 6.25 15.41 -54.73 1 5 1 59 518.505 13

Activity (Go SEA)

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