UCSF

ZINC12504217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 Yes

CAS Number: 7303-50-6

Other Names:

7-Azatryptophan

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) -2.12 2.5 -72.43 4 5 1 95 206.225 3
Hi High (pH 8-9.5) -2.12 2.2 -43.58 3 5 0 93 205.217 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.20e+00 g/l DrugBank-experimental

Activity (Go SEA)

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