UCSF

ZINC09328464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 37 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) 3.13 7.84 -60.27 0 9 -1 116 527.619 13
Mid Mid (pH 6-8) 3.58 8.4 -19.08 1 9 0 113 528.627 12

Activity (Go SEA)

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