UCSF

ZINC56894871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 17 Yes

Other Names:

MFCD21091944

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) 1.99 4.34 -39.8 2 3 1 29 233.335 3
Hi High (pH 8-9.5) 1.99 5.64 -33.34 2 3 1 26 233.335 3
Hi High (pH 8-9.5) 1.99 3.24 -3.24 1 3 0 24 232.327 3

Activity (Go SEA)

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