UCSF

ZINC41718786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 3.80 9.25 -40.28 1 4 0 63 273.332 5
Hi High (pH 8-9.5) 3.80 8.84 -53.02 0 4 -1 62 272.324 5

Activity (Go SEA)

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