UCSF

ZINC55060585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 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) 0.30 6.78 -11.12 2 7 0 79 370.501 4
Lo Low (pH 4.5-6) 0.30 8.03 -106.07 4 7 2 85 372.517 4

Activity (Go SEA)

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