UCSF

ZINC20057389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.45 6.3 -54.26 0 7 -1 82 439.463 7
Mid Mid (pH 6-8) 2.45 8.65 -68.69 1 7 0 83 440.471 7
Lo Low (pH 4.5-6) 2.45 7.83 -54.26 2 7 1 81 441.479 7

Activity (Go SEA)

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