UCSF

ZINC20256355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 1.42 2.82 -53.97 2 5 -1 81 215.273 8
Lo Low (pH 4.5-6) 1.42 1.7 -16.53 3 5 0 78 216.281 8

Activity (Go SEA)

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