UCSF

ZINC32502477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 22 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) 1.47 7.74 -36.4 2 4 1 46 296.394 5
Hi High (pH 8-9.5) 1.47 5.6 -12.21 1 4 0 45 295.386 5
Lo Low (pH 4.5-6) 1.47 8.13 -89.41 3 4 2 48 297.402 5

Activity (Go SEA)

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