UCSF

ZINC32542898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) -0.04 4.01 -53.68 2 8 1 76 365.454 7
Hi High (pH 8-9.5) -0.04 1.78 -20.55 1 8 0 74 364.446 7
Hi High (pH 8-9.5) -0.04 4.01 -49.6 2 8 1 76 365.454 7
Lo Low (pH 4.5-6) -0.04 6.27 -130.21 3 8 2 77 366.462 7

Activity (Go SEA)

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