UCSF

ZINC23010978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 26 Yes

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) 4.71 8.21 -17.4 3 5 0 70 365.82 4
Mid Mid (pH 6-8) 4.41 3.56 -10.59 3 5 0 77 365.82 5
Lo Low (pH 4.5-6) 4.41 4.83 -35.69 4 5 1 79 366.828 5

Activity (Go SEA)

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