UCSF

ZINC36789571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.09 5.99 -49.27 2 4 1 54 299.46 7
Hi High (pH 8-9.5) 3.09 4.82 -8.07 1 4 0 49 298.452 7

Activity (Go SEA)

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