UCSF

ZINC37834248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.85 4.81 -11.34 0 4 0 42 256.733 6
Lo Low (pH 4.5-6) 0.85 5.23 -31.95 1 4 1 44 257.741 6

Activity (Go SEA)

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