UCSF

ZINC36876574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.64 7.58 -36.13 3 3 1 45 297.209 2
Hi High (pH 8-9.5) 3.64 6.42 -7.5 2 3 0 41 296.201 2
Lo Low (pH 4.5-6) 3.64 8.07 -111.01 4 3 2 47 298.217 2

Activity (Go SEA)

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