UCSF

ZINC37806100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 Yes

Other Names:

MFCD14696902

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) -0.11 3.17 -45.14 3 4 1 61 209.269 4
Hi High (pH 8-9.5) -0.11 2.85 -8.87 2 4 0 59 208.261 4

Activity (Go SEA)

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