UCSF

ZINC00814063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Popular Name: 3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid 3-(1H-indol-3-yl)-3-pyridin-4-yl…

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CAS Numbers: , 797779-89-6

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) 1.88 -0.15 -51.28 1 4 -1 68 265.292 4 ↓
Lo Low (pH 4.5-6) 1.88 -0.04 -52.84 2 4 0 70 266.3 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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