UCSF

ZINC09359792

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 4.10 9.22 -60.03 0 8 -1 107 525.647 9
Mid Mid (pH 6-8) 4.54 9.53 -24.31 1 8 0 104 526.655 8

Activity (Go SEA)

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