UCSF

ZINC53244389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 21 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) 3.67 7.97 -7.34 1 3 0 32 292.398 4
Lo Low (pH 4.5-6) 3.67 8.62 -41.25 2 3 1 34 293.406 4

Activity (Go SEA)

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