UCSF

ZINC17180011

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) 2.84 6.49 -61.48 0 8 -1 97 440.472 9
Mid Mid (pH 6-8) 2.25 6.25 -14.28 0 8 0 91 441.48 9
Lo Low (pH 4.5-6) 2.84 5.67 -15.01 1 8 0 95 441.48 9

Activity (Go SEA)

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