UCSF

ZINC34439613

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 No

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) 5.21 9.74 -4.11 2 2 0 29 288.822 4
Lo Low (pH 4.5-6) 5.21 9.59 -49.11 3 2 1 31 289.83 4

Activity (Go SEA)

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