UCSF

ZINC17142877

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 13 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) 1.55 4.23 -14.5 1 4 0 65 237.06 1
Hi High (pH 8-9.5) 1.55 3.73 -36 0 4 -1 64 236.052 1
Hi High (pH 8-9.5) 1.55 4.16 -18.53 1 4 0 65 237.06 1
Lo Low (pH 4.5-6) 1.55 4.48 -37.19 2 4 1 67 238.068 1

Activity (Go SEA)

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