UCSF

ZINC20262863

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 7.7 -59.88 0 7 -1 86 431.468 6
Mid Mid (pH 6-8) 2.82 10.03 -71.21 1 7 0 87 432.476 6
Lo Low (pH 4.5-6) 2.82 9.21 -50.29 2 7 1 84 433.484 6

Activity (Go SEA)

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