UCSF

ZINC36785130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 2.50 6.59 -117.12 4 2 2 32 226.408 4
Hi High (pH 8-9.5) 2.50 4.69 -39.49 3 2 1 31 225.4 4
Hi High (pH 8-9.5) 2.50 6.22 -27.47 3 2 1 30 225.4 4

Activity (Go SEA)

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