UCSF

ZINC37094872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 4.89 9.32 -117.03 4 2 2 32 270.505 4
Hi High (pH 8-9.5) 4.89 7.4 -42.48 3 2 1 31 269.497 4
Hi High (pH 8-9.5) 4.89 9.19 -30.2 3 2 1 30 269.497 4

Activity (Go SEA)

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