UCSF

ZINC02053289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 26 Yes

Other Names:

MFCD00609646

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) 5.82 12.11 -9.04 1 3 0 38 340.426 5
Mid Mid (pH 6-8) 5.82 12.51 -28.53 2 3 1 39 341.434 5

Activity (Go SEA)

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