UCSF

ZINC11937176

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 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) 3.84 10.91 -15.52 1 6 0 67 413.477 5
Lo Low (pH 4.5-6) 3.84 11.19 -43.48 2 6 1 69 414.485 5

Activity (Go SEA)

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