UCSF

ZINC44649621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.38 5.39 -83.73 4 5 2 59 267.373 8
Hi High (pH 8-9.5) 1.38 2.87 -44.72 3 5 1 58 266.365 8

Activity (Go SEA)

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