UCSF

ZINC02916236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 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) 3.66 12.83 -15.08 0 6 0 62 362.433 5
Lo Low (pH 4.5-6) 3.66 13.35 -34.8 1 6 1 63 363.441 5

Activity (Go SEA)

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