UCSF

ZINC32926333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 20 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) 3.86 5.06 -35.4 0 3 -1 48 365.15 3
Lo Low (pH 4.5-6) 3.86 5 -8.11 1 3 0 46 366.158 3

Activity (Go SEA)

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