UCSF

ZINC32668105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 15 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) 2.31 5.38 -2.74 0 2 0 12 205.301 2
Lo Low (pH 4.5-6) 2.31 7.38 -35.09 1 2 1 14 206.309 2

Activity (Go SEA)

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