UCSF

ZINC19855512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 2.67 10.35 -50.71 1 3 1 22 264.352 2
Mid Mid (pH 6-8) 2.67 8.06 -10.3 0 3 0 21 263.344 2
Mid Mid (pH 6-8) 2.67 8.43 -26.51 1 3 1 22 264.352 2

Activity (Go SEA)

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