UCSF

ZINC37028527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.96 5.53 -36.16 3 5 1 72 283.392 5
Hi High (pH 8-9.5) 2.96 4.18 -5.19 2 5 0 67 282.384 5
Hi High (pH 8-9.5) 3.15 3.46 -28.76 2 5 0 78 282.384 5

Activity (Go SEA)

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