UCSF

ZINC00724943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD04149125

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) 2.28 11.04 -13.89 1 8 0 88 358.398 7
Lo Low (pH 4.5-6) 2.46 11.47 -56.32 2 8 1 92 359.406 7

Activity (Go SEA)

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