UCSF

ZINC36671397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 2.15 5.24 -36.74 3 4 1 43 278.42 6
Lo Low (pH 4.5-6) 2.15 7.7 -102.41 4 4 2 44 279.428 6
Lo Low (pH 4.5-6) 2.15 5.31 -38.33 3 4 1 43 278.42 6

Activity (Go SEA)

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