UCSF

ZINC37110416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.12 8.15 -109.51 3 2 2 21 226.408 4
Hi High (pH 8-9.5) 4.12 6.07 -30.86 2 2 1 20 225.4 4
Hi High (pH 8-9.5) 4.12 6.97 -29.62 2 2 1 16 225.4 4

Activity (Go SEA)

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