UCSF

ZINC36161465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.83 4.56 -14.22 0 4 0 61 312.479 3
Lo Low (pH 4.5-6) 2.83 6.26 -58.08 1 4 1 62 313.487 3

Activity (Go SEA)

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