UCSF

ZINC08783537

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 4.88 3.21 -12.54 1 4 0 65 413.424 6
Lo Low (pH 4.5-6) 4.88 3.4 -43.63 2 4 1 67 414.432 6

Activity (Go SEA)

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