UCSF

ZINC37834483

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.23 6.19 -11.3 0 5 0 50 310.781 5
Lo Low (pH 4.5-6) 1.23 8.32 -47.28 1 5 1 51 311.789 5

Activity (Go SEA)

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