UCSF

ZINC35186275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) -0.74 3.24 -42.49 3 6 0 95 238.243 6
Hi High (pH 8-9.5) -0.74 1.9 -52.22 2 6 -1 90 237.235 6

Activity (Go SEA)

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