UCSF

ZINC32587389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 26 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) 3.83 8.4 -42.62 2 4 1 38 375.92 8
Hi High (pH 8-9.5) 3.83 6.98 -5.48 1 4 0 34 374.912 8
Lo Low (pH 4.5-6) 3.83 10.75 -95.84 3 4 2 40 376.928 8

Activity (Go SEA)

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