UCSF

ZINC30731391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 14 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) -0.43 3.16 -43.26 1 7 -1 90 188.174 3
Lo Low (pH 4.5-6) -0.43 3.24 -15.36 2 7 0 92 189.182 3

Activity (Go SEA)

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