UCSF

ZINC37980631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 13 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) 2.50 5 -7.84 1 2 0 36 194.665 3
Lo Low (pH 4.5-6) 2.50 6.13 -54.67 2 2 1 40 195.673 3

Activity (Go SEA)

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