UCSF

ZINC35304456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 13 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) -0.29 4.05 -31.56 1 5 0 70 221.669 4
Hi High (pH 8-9.5) -0.29 1.8 -43.37 0 5 -1 69 220.661 4

Activity (Go SEA)

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