UCSF

ZINC32252466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 10 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) -0.40 5.16 -121.43 0 4 -2 80 140.094 2
Lo Low (pH 4.5-6) -0.40 3.12 -53.72 1 4 -1 77 141.102 2

Activity (Go SEA)

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