UCSF

ZINC36777732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.08 7.99 -8.86 0 3 0 33 274.751 4
Lo Low (pH 4.5-6) 2.08 8.47 -32.73 1 3 1 34 275.759 4

Activity (Go SEA)

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