UCSF

ZINC06813050

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 2.97 8.28 -57.16 0 5 -1 70 368.384 6
Mid Mid (pH 6-8) 3.42 1.18 -14 1 5 0 66 369.392 5

Activity (Go SEA)

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