UCSF

ZINC03630275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 33 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) 3.24 11.32 -50.53 0 7 -1 74 460.535 6
Mid Mid (pH 6-8) 2.51 11.56 -18.43 1 7 0 77 461.543 6

Activity (Go SEA)

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