UCSF

ZINC06154198

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 32 Yes

Other Names:

MFCD02655208

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) 6.01 13.09 -13.43 1 5 0 68 462.596 8
Lo Low (pH 4.5-6) 6.01 13.33 -37.89 2 5 1 70 463.604 8

Activity (Go SEA)

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