UCSF

ZINC37982406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 13 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) -0.89 1.43 -75.91 2 4 1 75 203.287 4
Hi High (pH 8-9.5) -0.89 0.14 -17.64 1 4 0 70 202.279 4

Activity (Go SEA)

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