UCSF

ZINC00804088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 Yes

Other Names:

MFCD03697855

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) 5.37 4.06 -15.04 0 5 0 72 422.428 6
Lo Low (pH 4.5-6) 5.37 4.19 -53.14 1 5 1 73 423.436 6

Activity (Go SEA)

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