UCSF

ZINC39853861

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 21 No

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) 2.90 6.1 -13.03 1 5 0 64 282.299 3
Hi High (pH 8-9.5) 2.90 7.22 -64.86 0 5 -1 67 281.291 3
Hi High (pH 8-9.5) 2.90 6.4 -57.6 0 5 -1 67 281.291 3

Activity (Go SEA)

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