UCSF

ZINC02793129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 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) 2.77 8.64 -14.79 1 6 0 61 373.425 10
Mid Mid (pH 6-8) 3.50 8.48 -47.85 0 6 -1 58 372.417 10

Activity (Go SEA)

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