UCSF

ZINC15012535

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 No

Other Names:

MFCD02951629

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) 5.59 8.79 -9.76 1 4 0 54 378.375 4
Ref Reference (pH 7) 5.59 8.36 -9.11 1 4 0 54 378.375 4
Lo Low (pH 4.5-6) 5.10 8.25 -38.04 0 4 -1 53 377.367 5

Activity (Go SEA)

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