UCSF

ZINC34938644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.65 4.07 -36.77 3 4 1 55 243.371 7
Hi High (pH 8-9.5) 1.65 2.76 -8.15 2 4 0 50 242.363 7

Activity (Go SEA)

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