UCSF

ZINC49400076

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) -0.33 2.46 -50.01 3 7 1 80 268.341 6
Hi High (pH 8-9.5) -0.33 0.22 -23.13 2 7 0 79 267.333 6

Activity (Go SEA)

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