UCSF

ZINC35510059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.44 10.41 -12.57 1 5 0 53 413.949 7
Lo Low (pH 4.5-6) 3.44 10.85 -29.24 2 5 0 54 414.957 7

Activity (Go SEA)

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