UCSF

ZINC00840840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 31 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) 1.47 5.26 -16.86 1 8 0 100 420.421 1
Lo Low (pH 4.5-6) 1.47 5.51 -44.48 2 8 1 101 421.429 1

Activity (Go SEA)

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