UCSF

ZINC53496139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 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) 1.83 5.07 -33.67 2 3 1 33 256.439 8
Hi High (pH 8-9.5) 1.83 3.75 -3.69 1 3 0 28 255.431 8
Lo Low (pH 4.5-6) 1.83 7.09 -108.71 3 3 2 34 257.447 8

Activity (Go SEA)

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