UCSF

ZINC28012627

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 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) 5.10 9.93 -16.89 1 4 0 55 335.498 9
Hi High (pH 8-9.5) 5.29 8.87 -42.19 0 4 -1 61 334.49 9

Activity (Go SEA)

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