UCSF

ZINC00687822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 24 Yes

Other Names:

MFCD05803193

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) 3.70 -4.41 -16.41 2 5 0 75 366.87 5
Hi High (pH 8-9.5) 3.70 -3.94 -51.17 1 5 -1 77 365.862 5

Activity (Go SEA)

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