UCSF

ZINC08677569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 21 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) 0.18 7.56 -26.73 1 4 0 53 288.322 1
Hi High (pH 8-9.5) 1.48 6.12 -52.15 0 4 -1 56 287.314 1

Activity (Go SEA)

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