UCSF

ZINC13678126

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 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) 2.32 4.65 -13.88 1 5 0 67 247.261 1
Hi High (pH 8-9.5) 2.32 4.21 -49.4 0 5 -1 66 246.253 1
Lo Low (pH 4.5-6) 2.32 4.92 -41.41 2 5 1 69 248.269 1

Activity (Go SEA)

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