UCSF

ZINC42411493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) 3.51 6.59 -39.09 2 2 1 26 273.194 5
Hi High (pH 8-9.5) 3.51 5.21 -2.88 1 2 0 21 272.186 5

Activity (Go SEA)

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