UCSF

ZINC53132056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.76 9.8 -45.19 2 2 1 29 269.412 7
Lo Low (pH 4.5-6) 3.76 10.27 -101.28 3 2 2 31 270.42 7

Activity (Go SEA)

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