UCSF

ZINC34944148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.07 6.86 -45.33 1 8 -1 102 493.58 9
Mid Mid (pH 6-8) 3.07 9.12 -57 2 8 0 104 494.588 9
Lo Low (pH 4.5-6) 3.07 8.37 -44.76 3 8 1 101 495.596 9

Activity (Go SEA)

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