UCSF

ZINC32137903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 25 No

Other Names:

MFCD03696450

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) 5.17 8.76 -7.33 1 3 0 45 370.302 2
Ref Reference (pH 7) 5.17 8.33 -7.07 1 3 0 45 370.302 2
Hi High (pH 8-9.5) 5.63 7.26 -37.8 0 3 -1 48 369.294 2
Hi High (pH 8-9.5) 5.63 6.59 -39.32 0 3 -1 48 369.294 2

Activity (Go SEA)

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