UCSF

ZINC09360436

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 29 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) 4.37 9.91 -39.15 0 5 -1 70 433.311 7
Mid Mid (pH 6-8) 4.81 8.91 -28.66 1 5 0 67 434.319 6
Mid Mid (pH 6-8) 3.78 -0.2 -23.11 0 5 0 63 434.319 7

Activity (Go SEA)

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