UCSF

ZINC19853573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 Yes

Other Names:

MFCD08728311

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) 3.65 5.09 -12.23 3 5 0 71 406.433 3
Mid Mid (pH 6-8) 3.65 5.45 -39.17 4 5 1 72 407.441 3

Activity (Go SEA)

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