UCSF

ZINC70039521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 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) 2.16 4.83 -7.36 0 5 0 42 322.449 2
Lo Low (pH 4.5-6) 2.16 6.96 -37.36 1 5 1 43 323.457 2

Activity (Go SEA)

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