UCSF

ZINC08740815

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 39 No

Download: MOL2 SDF SMILES Flexibase

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) 4.69 15.25 -76.82 1 9 0 120 529.593 11
Mid Mid (pH 6-8) 5.14 15.49 -54.18 2 9 1 117 530.601 10

Activity (Go SEA)

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