UCSF

ZINC42976184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.21 8.59 -40.19 1 3 1 23 272.368 6
Hi High (pH 8-9.5) 3.21 6.26 -6.14 0 3 0 22 271.36 6

Activity (Go SEA)

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