UCSF

ZINC52304164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.45 5.57 -60.08 3 3 1 45 254.716 4
Hi High (pH 8-9.5) 1.45 5.18 -8.73 2 3 0 44 253.708 4
Lo Low (pH 4.5-6) 1.45 6.13 -117.23 4 3 2 47 255.724 4

Activity (Go SEA)

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