UCSF

ZINC17160650

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 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) 2.44 7.12 -60.89 0 8 -1 97 440.472 9
Mid Mid (pH 6-8) 1.86 7.52 -16.96 0 8 0 91 441.48 9
Lo Low (pH 4.5-6) 2.44 6.3 -18.07 1 8 0 95 441.48 9

Activity (Go SEA)

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