UCSF

ZINC09573726

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 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) 1.28 -3.03 -20.14 2 8 0 102 412.471 8
Lo Low (pH 4.5-6) 1.28 -2.97 -49.86 3 8 1 103 413.479 8

Activity (Go SEA)

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