UCSF

ZINC36804185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.80 8.26 -37.34 2 2 1 26 325.201 5
Hi High (pH 8-9.5) 3.80 6.86 -5.53 1 2 0 21 324.193 5

Activity (Go SEA)

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