UCSF

ZINC37081231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.16 4.01 -90.1 5 4 2 69 192.266 3
Hi High (pH 8-9.5) -0.16 4.04 -32.36 4 4 1 67 191.258 3
Hi High (pH 8-9.5) -0.16 3.66 -36.18 4 4 1 68 191.258 3

Activity (Go SEA)

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