UCSF

ZINC21020330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 17 No

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) -1.10 -1.29 -70.92 3 6 1 101 262.355 5
Hi High (pH 8-9.5) -1.10 -1.61 -19.77 2 6 0 99 261.347 5

Activity (Go SEA)

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