UCSF

ZINC37173941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.95 8.71 -41.67 0 4 -1 56 255.725 5
Lo Low (pH 4.5-6) 2.95 8.88 -31.94 1 4 0 58 256.733 5

Activity (Go SEA)

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