UCSF

ZINC00820442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 31 Yes

Other Names:

MFCD01050964

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) 3.73 -1.04 -15.25 1 6 0 72 405.461 5
Lo Low (pH 4.5-6) 3.73 -0.93 -45.41 2 6 1 73 406.469 5

Activity (Go SEA)

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