UCSF

ZINC42778763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 1.19 2.53 -47.36 3 3 1 48 213.223 4
Hi High (pH 8-9.5) 1.19 2.46 -7.15 2 3 0 46 212.215 4

Activity (Go SEA)

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