UCSF

ZINC35385137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -3.65 4.89 -57.91 2 7 0 125 238.247 8
Hi High (pH 8-9.5) -3.65 3.55 -58.97 1 7 -1 120 237.239 8

Activity (Go SEA)

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