UCSF

ZINC36472078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 29 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) 4.13 12.98 -35.25 1 3 1 13 400.468 4
Mid Mid (pH 6-8) 4.13 12.81 -36.31 1 3 1 13 400.468 4
Mid Mid (pH 6-8) 4.13 10.61 -4.86 0 3 0 11 399.46 4

Activity (Go SEA)

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