UCSF

ZINC08398437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 31 No

Other Names:

MFCD00839813

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) 8.94 1.5 -11.89 1 0 0 39 454.039 4
Mid Mid (pH 6-8) 8.94 1.74 -25.88 1 4 1 40 455.047 11

Activity (Go SEA)

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