UCSF

ZINC08744083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 35 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) 4.95 11.85 -55.88 0 8 -1 113 487.513 7
Mid Mid (pH 6-8) 5.40 12.05 -20.53 1 8 0 110 488.521 6

Activity (Go SEA)

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