UCSF

ZINC05826074

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 27 Yes

Other Names:

MFCD01079554

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) 3.39 8.72 -61.75 1 6 -1 87 384.481 7
Mid Mid (pH 6-8) 3.46 7.64 -149.35 0 6 -2 93 383.473 7

Activity (Go SEA)

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