UCSF

ZINC35893014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 5.18 13.26 -40.51 1 5 1 37 442.697 5
Lo Low (pH 4.5-6) 5.18 15.48 -128.93 2 5 2 38 443.705 5

Activity (Go SEA)

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