UCSF

ZINC34941118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 2.69 5.13 -60.76 1 8 -1 102 465.526 9
Mid Mid (pH 6-8) 2.69 7.4 -76.24 2 8 0 104 466.534 9
Lo Low (pH 4.5-6) 2.69 6.64 -58.38 3 8 1 101 467.542 9

Activity (Go SEA)

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