UCSF

ZINC08286990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 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) 4.16 7.22 -47.48 1 5 -1 77 383.424 5
Mid Mid (pH 6-8) 4.16 7.13 -13.57 2 5 0 75 384.432 5

Activity (Go SEA)

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