UCSF

ZINC08464094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 30 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) 3.67 10.05 -56.73 0 5 -1 73 417.872 5
Lo Low (pH 4.5-6) 4.11 10.15 -43.32 2 5 1 72 419.888 4
Lo Low (pH 4.5-6) 3.67 9.23 -14.6 1 5 0 71 418.88 5

Activity (Go SEA)

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