UCSF

ZINC09360760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 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) 3.49 8.27 -59.25 0 9 -1 107 498.552 13
Mid Mid (pH 6-8) 3.93 8.53 -16.89 1 9 0 104 499.56 12

Activity (Go SEA)

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