UCSF

ZINC28009742

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 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) -2.80 0.88 -117.1 4 7 -1 137 245.255 8
Hi High (pH 8-9.5) -2.80 0.56 -107.01 3 7 -2 135 244.247 8
Lo Low (pH 4.5-6) -2.80 -0.24 -82.49 5 7 0 134 246.263 8

Activity (Go SEA)

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