UCSF

ZINC32105113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 0.35 6.34 -48.43 0 5 -1 73 249.29 6
Lo Low (pH 4.5-6) 0.35 5.22 -9.71 1 5 0 71 250.298 6
Lo Low (pH 4.5-6) 0.35 6.47 -64.88 1 5 0 75 250.298 6

Activity (Go SEA)

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