UCSF

ZINC20262860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.82 7.67 -59.28 0 7 -1 86 431.468 6
Mid Mid (pH 6-8) 2.82 10.01 -68.73 1 7 0 87 432.476 6
Lo Low (pH 4.5-6) 2.82 9.19 -48.88 2 7 1 84 433.484 6

Activity (Go SEA)

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