UCSF

ZINC09282174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 4.74 12.43 -51.83 2 6 1 71 491.995 9
Mid Mid (pH 6-8) 4.15 13.11 -61.58 1 6 1 68 491.995 9

Activity (Go SEA)

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