UCSF

ZINC58165455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 3.97 10.74 -36.49 2 3 1 26 337.487 8
Lo Low (pH 4.5-6) 3.97 9.71 -36.26 2 3 1 29 337.487 8

Activity (Go SEA)

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