UCSF

ZINC37839223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 1.31 8.01 -23.23 1 4 0 53 256.305 2
Hi High (pH 8-9.5) 2.05 6.86 -53.47 1 4 -1 59 255.297 1

Activity (Go SEA)

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