UCSF

ZINC35695776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 0.61 7.16 -51.34 2 4 1 47 217.296 4
Hi High (pH 8-9.5) 0.61 5.81 -11.14 1 4 0 43 216.288 4

Activity (Go SEA)

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