UCSF

ZINC35599829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) -0.10 -5.98 -11.26 5 6 0 113 246.288 4
Hi High (pH 8-9.5) -0.10 -5.22 -44.08 4 6 -1 115 245.28 4

Activity (Go SEA)

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